[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine

C17H21NO2 — CID 62018565

IUPAC[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
SMILESCCc1ccc(OCc2cc(CN)ccc2OC)cc1
InChIInChI=1S/C17H21NO2/c1-3-13-4-7-16(8-5-13)20-12-15-10-14(11-18)6-9-17(15)19-2/h4-10H,3,11-12,18H2,1-2H3
InChIKeyORVGUIIUHNOJQO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.30
Rot. Bonds6

About [3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine

[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine (PubChem CID 62018565) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
PubChem CID62018565
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
SMILESCCc1ccc(OCc2cc(CN)ccc2OC)cc1
InChIInChI=1S/C17H21NO2/c1-3-13-4-7-16(8-5-13)20-12-15-10-14(11-18)6-9-17(15)19-2/h4-10H,3,11-12,18H2,1-2H3
InChIKeyORVGUIIUHNOJQO-UHFFFAOYSA-N
XLogP3.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
[3-[(4-bromo-3-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 83133090
[4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine
CID 170299721
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
CID 168529604
2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 60656846
1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene
CID 57398314
[4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 62018202
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
5-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402827
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
[4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]-2,5-dimethoxyphenyl]methoxy]phenyl]methanol
CID 101236139

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine (CID 62018565) is [3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine is CCc1ccc(OCc2cc(CN)ccc2OC)cc1.
What is the InChIKey of [3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine?
The InChIKey is ORVGUIIUHNOJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-13-4-7-16(8-5-13)20-12-15-10-14(11-18)6-9-17(15)19-2/h4-10H,3,11-12,18H2,1-2H3.
What are the key properties of [3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine?
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 62018565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).